6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid

C14H25NO4 — CID 103161691

IUPAC6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid
SMILESCCOC1CC(CC(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-2-19-12-8-11(9-12)10-13(16)15-7-5-3-4-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyBGMWGGZUMARBHO-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds10

About 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid

6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid (PubChem CID 103161691) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid
PubChem CID103161691
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid
SMILESCCOC1CC(CC(=O)NCCCCCC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-2-19-12-8-11(9-12)10-13(16)15-7-5-3-4-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyBGMWGGZUMARBHO-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270497
2-(3-hydroxycyclobutyl)-N-propan-2-ylacetamide
CID 129257450
N-ethyl-2-(3-hydroxycyclobutyl)acetamide
CID 129280943
N-ethyl-2-(3-hydroxycyclobutyl)propanamide
CID 139452204
5-[3-(4-Carboxyhexan-2-yloxy)propylamino]-2-ethyl-5-oxopentanoic acid
CID 145747186
4-[(4-Methoxycyclohexanecarbonyl)amino]butanoic acid
CID 145818857
Methane;[6-(2-methylbutylamino)-6-oxohexyl] acetate;5-(2-methylbutylamino)-5-oxopentanoic acid
CID 157891175
2-(3-hydroxycyclobutyl)-N-propylacetamide
CID 170235586
3-Methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
CID 55155032
5-(3-Cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
3-Methyl-5-oxo-5-(3-propan-2-yloxypropylamino)pentanoic acid
CID 62964549
3-Methyl-5-(oxan-2-ylmethylamino)-5-oxopentanoic acid
CID 62965608

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid (CID 103161691) is 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid is CCOC1CC(CC(=O)NCCCCCC(=O)O)C1.
What is the InChIKey of 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid?
The InChIKey is BGMWGGZUMARBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-2-19-12-8-11(9-12)10-13(16)15-7-5-3-4-6-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid?
6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 103161691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).